methyl 4-(1-methoxybutan-2-ylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(1-methoxybutan-2-ylcarbamothioylamino)benzoate Openeye Name: methyl 4-[1-(methoxymethyl)propylcarbamothioylamino]benzoate CAS Name: 4-[[(1-methoxybutan-2-ylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(1-methoxybutan-2-ylcarbamothioylamino)benzoate Traditional Name: 4-[1-(methoxymethyl)propylthiocarbamoylamino]benzoic acid methyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC)NC(=S)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCC(COC)NC(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C14H20N2O3S/c1-4-11(9-18-2)15-14(20)16-12-7-5-10(6-8-12)13(17)19-3/h5-8,11H,4,9H2,1-3H3,(H2,15,16,20)